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[ CAS No. 63648-73-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 63648-73-7
Chemical Structure| 63648-73-7
Structure of 63648-73-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 63648-73-7 ]

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Product Details of [ 63648-73-7 ]

CAS No. :63648-73-7 MDL No. :MFCD00063193
Formula : C13H15NO6 Boiling Point : No data available
Linear Structure Formula :- InChI Key :PVFCXMDXBIEMQG-SNVBAGLBSA-N
M.W : 281.26 Pubchem ID :1607568
Synonyms :
Chemical Name :N-Cbz-D-glutamic Acid

Calculated chemistry of [ 63648-73-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.31
Num. rotatable bonds : 9
Num. H-bond acceptors : 6.0
Num. H-bond donors : 3.0
Molar Refractivity : 68.27
TPSA : 112.93 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.36 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.34
Log Po/w (XLOGP3) : 0.92
Log Po/w (WLOGP) : 1.08
Log Po/w (MLOGP) : 0.82
Log Po/w (SILICOS-IT) : 0.55
Consensus Log Po/w : 0.94

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.79
Solubility : 4.55 mg/ml ; 0.0162 mol/l
Class : Very soluble
Log S (Ali) : -2.88
Solubility : 0.373 mg/ml ; 0.00133 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.15
Solubility : 2.01 mg/ml ; 0.00714 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.84

Safety of [ 63648-73-7 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 63648-73-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 63648-73-7 ]

[ 63648-73-7 ] Synthesis Path-Downstream   1~10

  • 1
  • N-benzyloxycarbonyl-DL-glutamic acid [ No CAS ]
  • [ 63648-73-7 ]
  • 2
  • [ 63648-73-7 ]
  • [ 19522-39-5 ]
  • 3
  • [ 6893-26-1 ]
  • [ 501-53-1 ]
  • [ 63648-73-7 ]
  • 4
  • [ 6066-82-6 ]
  • [ 63648-73-7 ]
  • (R)-2-Benzyloxycarbonylamino-pentanedioic acid bis-(2,5-dioxo-pyrrolidin-1-yl) ester [ No CAS ]
  • 5
  • [ 63648-73-7 ]
  • [ 71869-80-2 ]
YieldReaction ConditionsOperation in experiment
100% With dicyclohexyl-carbodiimide; In tetrahydrofuran; at 20℃; for 20h;Inert atmosphere; To a stirred solution of Z-D-Glu(OH)-OH (1 eq) in anhydrous THF (10 vols) under argon was added DCC (1 eq) and the reaction mixture was allowed to stir at r. t. for 20 h. The precipitate was filtered, washed with anhydrous THF (2 x 3 mL) and the solution was concentrated to dryness to afford the title compound as a viscous oil (510 mg, quant.).1H NMR (CDCl3, 300 MHz) δ 1.88-2.05 (m, 1H), 2.38-2.53 (m, 1H), 2.80-2.97 (m, 1H), 3.04 (ddd, J = 18.6, 5.4, 1.8 Hz, 1H), 4.45 (m, 1H), 5.14 (s, 2H), 5.63 (br s, 1H), 7.27-7.43 (m, 5H).
  • 6
  • [ 63648-73-7 ]
  • [ 115-11-7 ]
  • [ 106930-50-1 ]
  • 8
  • [ 51644-83-8 ]
  • [ 63648-73-7 ]
  • 9
  • [ 63648-73-7 ]
  • (R)-2-{(S)-2-[(R)-2-((2S,3R,4R,5S,6R)-3-Acetylamino-2-benzyloxy-5-hydroxy-6-hydroxymethyl-tetrahydro-pyran-4-yloxy)-propionylamino]-propionylamino}-pentanedioic acid 1-amide 5-({(S)-1-carbamoyl-5-[(E)-3-(3-nitro-phenyl)-acryloylamino]-pentyl}-amide) [ No CAS ]
  • 10
  • [ 63648-73-7 ]
  • [ 19522-40-8 ]
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Technical Information

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